Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20141119

Cc1cc(C)c(N(c2cccc(C#N)c2)C2CCNCC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.46
RPTOR Q8N122 6/20 0.46
MLST8 Q9BVC4 6/20 0.46
GPR6 P46095 3/20 0.36
CYP3A4 P08684 1/20 0.36
RBP4 P02753 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC9A1 P19634 1/20 0.36
CYP2C19 P33261 1/20 0.36
PARP1 P09874 1/20 0.36
TACR3 P29371 1/20 0.36
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.35
SLC6A9 P48067 1/20 0.35
SMO Q99835 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20141164 0.87 MTOR (0.46) MTORRPTORMLST8PARP1TACR3
SCHEMBL20141054 0.82 MTOR (0.48) MTORRPTORMLST8PARP1TACR3
SCHEMBL20141074 0.78 SLC6A2 (0.42) CYP2D6
SCHEMBL20141597 0.76 MTOR (0.54) MTORRPTORMLST8PARP1LMNA
Trifluoroacetic Acid SCHEMBL21340101 0.76 MTOR (0.67) MTORRPTORMLST8GPR6
SCHEMBL20141263 0.75 MTOR (0.46) MTORRPTORMLST8PARP1LMNA
SCHEMBL20140929 0.74 MTOR (0.57) MTORRPTORMLST8GPR6RBP4
SCHEMBL20141049 0.74 SLC6A2 (0.38) GRM5ALDH1A1
SCHEMBL20140972 0.74 MTOR (0.56) MTORRPTORMLST8TACR3LMNA
SCHEMBL20140851 0.73 MTOR (0.44) MTORRPTORMLST8CYP3A4RBP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed